Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design

Shafikov, Marsel Z., Daniels, Ruth and Kozhevnikov, Valery (2019) Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design. The Journal of Physical Chemistry Letters, 10 (22). pp. 7015-7024. ISSN 1948-7185

Shafikov et al_2019_JPRL_Unusually Fast Phosphorescence.pdf - Accepted Version

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Official URL: https://doi.org/10.1021/acs.jpclett.9b03002


The design and detailed photophysical study of two novel Ir(III) complexes featuring mono- and dinuclear design are presented. Emission quantum yield and decay times in solution are φPL = 90% and τ(300 K) = 1.16 μs for the mononuclear complex 5, and φPL = 95% and τ(300 K) = 0.44 μs for the dinuclear complex 6. These data indicate an almost 3-fold increase in the phosphorescence rate for dinuclear complex 6 compared to 5. Zero-field splitting (ZFS) of the T1 state also increases from ZFS = 65 cm-1 for the mononuclear complex to ZFS = 205 cm-1 for the dinuclear complex and is accompanied by a drastic shortening of the individual decay times of T1 substates. With the help of TD-DFT calculations, we rationalize that the drastic changes in the T1 state properties in the dinuclear complex originate from an increased number of excited states available for direct spin-orbit coupling (SOC) routes as a result of electronic coupling of Ir-Cl antibonding molecular orbitals of the two coordination sites.

Item Type: Article
Subjects: F100 Chemistry
F200 Materials Science
Department: Faculties > Health and Life Sciences > Applied Sciences
Depositing User: Elena Carlaw
Date Deposited: 21 Nov 2019 10:47
Last Modified: 31 Jul 2021 13:06
URI: http://nrl.northumbria.ac.uk/id/eprint/41560

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